CID 54323006

Schembl3171363

Structural Information

Molecular Formula

C₈H₁₅NO₄S

SMILES

CS(=O)(=O)NC1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H15NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)

InChIKey

SSYHVHOPZWWGGO-UHFFFAOYSA-N

Compound name

4-(methanesulfonamido)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 221.07217 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.07945	145.5
[M+Na]+	244.06139	150.2
[M-H]-	220.06489	147.0
[M+NH4]+	239.10599	162.8
[M+K]+	260.03533	148.3
[M+H-H2O]+	204.06943	140.2
[M+HCOO]-	266.07037	158.9
[M+CH3COO]-	280.08602	183.7
[M+Na-2H]-	242.04684	147.4
[M]+	221.07162	143.2
[M]-	221.07272	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe